(6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide

C185H235ClN30O40S2Si6 — CID 163762333

IUPAC(6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide
SMILESCC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1.CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1.CCOC(C)=O.CC[C@@H]1OC(OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@H]1C.CC[C@@H]1OC(OC)[C@H](OC(=O)c2ccccc2)[C@H]1C.CC[C@@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(=O)c2ccccc2)[C@H]1C.Cc1ccc(OC(=S)O[C@@H]2[C@H]3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@@H]3O[C@H]2n2cnc3c(NC(=O)c4ccccc4)ncnc32)cc1.O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)c1ccccc1.O=C(Nc1ncnc2nc[nH]c12)c1ccccc1.S=C(Cl)Oc1ccccc1
InChIInChI=1S/C37H49N5O7SSi2.C29H43N5O6Si2.C26H25N5O4.C22H39N5O5Si2.C17H17N5O5.C16H20O5.C15H20O4.C12H9N5O.C7H5ClOS.C4H8O2/c1-22(2)51(23(3)4)44-19-29-31(48-52(49-51,24(5)6)25(7)8)32(47-37(50)45-28-17-15-26(9)16-18-28)36(46-29)42-21-40-30-33(38-20-39-34(30)42)41-35(43)27-13-11-10-12-14-27;1-17(2)41(18(3)4)37-14-22-25(39-42(40-41,19(5)6)20(7)8)24(35)29(38-22)34-16-32-23-26(30-15-31-27(23)34)33-28(36)21-12-10-9-11-13-21;1-3-19-16(2)21(35-26(33)18-12-8-5-9-13-18)25(34-19)31-15-29-20-22(27-14-28-23(20)31)30-24(32)17-10-6-4-7-11-17;1-12(2)33(13(3)4)29-9-16-19(31-34(32-33,14(5)6)15(7)8)18(28)22(30-16)27-11-26-17-20(23)24-10-25-21(17)27;23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9;1-4-13-10(2)14(16(20-13)19-11(3)17)21-15(18)12-8-6-5-7-9-12;1-4-12-10(2)13(15(17-3)18-12)19-14(16)11-8-6-5-7-9-11;18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11;8-7(10)9-6-4-2-1-3-5-6;1-3-6-4(2)5/h10-18,20-25,29,31-32,36H,19H2,1-9H3,(H,38,39,41,43);9-13,15-20,22,24-25,29,35H,14H2,1-8H3,(H,30,31,33,36);4-16,19,21,25H,3H2,1-2H3,(H,27,28,30,32);10-16,18-19,22,28H,9H2,1-8H3,(H2,23,24,25);1-5,7-8,10,12-13,17,23-25H,6H2,(H,18,19,21,26);5-10,13-14,16H,4H2,1-3H3;5-10,12-13,15H,4H2,1-3H3;1-7H,(H2,13,14,15,16,17,18);1-5H;3H2,1-2H3/t29-,31-,32+,36+;22-,24+,25-,29+;16-,19-,21+,25+;16-,18+,19-,22+;10-,12-,13+,17+;10-,13-,14+,16?;10-,12-,13+,15?;;;/m0000000.../s1
InChIKeyLZGAZPMHSPHZAO-BICHZYFXSA-N
MW3787.19 g/mol
LogP30.78
Rot. Bonds43

About (6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide

(6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide (PubChem CID 163762333) has the molecular formula C185H235ClN30O40S2Si6 and a molecular weight of 3787.19 g/mol. Its IUPAC name is (6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide.

Molecular Properties

Compound Name(6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide
PubChem CID163762333
Molecular FormulaC185H235ClN30O40S2Si6
Molecular Weight3787.19 g/mol
Exact Mass3783.50
IUPAC Name(6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide
SMILESCC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1.CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1.CCOC(C)=O.CC[C@@H]1OC(OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@H]1C.CC[C@@H]1OC(OC)[C@H](OC(=O)c2ccccc2)[C@H]1C.CC[C@@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(=O)c2ccccc2)[C@H]1C.Cc1ccc(OC(=S)O[C@@H]2[C@H]3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@@H]3O[C@H]2n2cnc3c(NC(=O)c4ccccc4)ncnc32)cc1.O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)c1ccccc1.O=C(Nc1ncnc2nc[nH]c12)c1ccccc1.S=C(Cl)Oc1ccccc1
InChIInChI=1S/C37H49N5O7SSi2.C29H43N5O6Si2.C26H25N5O4.C22H39N5O5Si2.C17H17N5O5.C16H20O5.C15H20O4.C12H9N5O.C7H5ClOS.C4H8O2/c1-22(2)51(23(3)4)44-19-29-31(48-52(49-51,24(5)6)25(7)8)32(47-37(50)45-28-17-15-26(9)16-18-28)36(46-29)42-21-40-30-33(38-20-39-34(30)42)41-35(43)27-13-11-10-12-14-27;1-17(2)41(18(3)4)37-14-22-25(39-42(40-41,19(5)6)20(7)8)24(35)29(38-22)34-16-32-23-26(30-15-31-27(23)34)33-28(36)21-12-10-9-11-13-21;1-3-19-16(2)21(35-26(33)18-12-8-5-9-13-18)25(34-19)31-15-29-20-22(27-14-28-23(20)31)30-24(32)17-10-6-4-7-11-17;1-12(2)33(13(3)4)29-9-16-19(31-34(32-33,14(5)6)15(7)8)18(28)22(30-16)27-11-26-17-20(23)24-10-25-21(17)27;23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9;1-4-13-10(2)14(16(20-13)19-11(3)17)21-15(18)12-8-6-5-7-9-12;1-4-12-10(2)13(15(17-3)18-12)19-14(16)11-8-6-5-7-9-11;18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11;8-7(10)9-6-4-2-1-3-5-6;1-3-6-4(2)5/h10-18,20-25,29,31-32,36H,19H2,1-9H3,(H,38,39,41,43);9-13,15-20,22,24-25,29,35H,14H2,1-8H3,(H,30,31,33,36);4-16,19,21,25H,3H2,1-2H3,(H,27,28,30,32);10-16,18-19,22,28H,9H2,1-8H3,(H2,23,24,25);1-5,7-8,10,12-13,17,23-25H,6H2,(H,18,19,21,26);5-10,13-14,16H,4H2,1-3H3;5-10,12-13,15H,4H2,1-3H3;1-7H,(H2,13,14,15,16,17,18);1-5H;3H2,1-2H3/t29-,31-,32+,36+;22-,24+,25-,29+;16-,19-,21+,25+;16-,18+,19-,22+;10-,12-,13+,17+;10-,13-,14+,16?;10-,12-,13+,15?;;;/m0000000.../s1
InChIKeyLZGAZPMHSPHZAO-BICHZYFXSA-N
XLogP30.78
TPSA861.23 Ų
H-Bond Donors12
H-Bond Acceptors66
Rotatable Bonds43
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003787.19
LogP ≤ 530.78
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1066

Analyze (6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide with MolForge

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Related Compounds

N-[9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide
CID 11169469
(6aS,8S,9R)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;(2S,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 157475748
phenyl N-[9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]carbamate
CID 91089565
N-[9-[(6aR,8R,9R,9aS)-9-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide
CID 53356168
O-[(6aR,8R,9S)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate
CID 88614984
N-[9-[(6aR,8R,9R,9aR)-9-(azidomethoxy)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide
CID 15476717
[6-[8-[2-[[(6aR,8R,9S)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]-5-oxooctoxy]-3-acetyloxy-4,5-dimethyloxan-2-yl]methyl acetate
CID 167634677
[(2S,4S,5R)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate;[(2S,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate;(2S,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 162001590
N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]-4-methoxybenzamide
CID 156679969
(6aR,8R,9R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aR,8R,9R,9aR)-9-(2-cyanoethylsulfanyl)-9-(2-oxopropyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]-4-methoxybenzamide;N-[9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]-4-methoxy-N-(4-methoxybenzoyl)benzamide;N-[9-[(6aR,8R,9aS)-9-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]-4-methoxy-N-(4-methoxybenzoyl)benzamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 159969528
N-[9-[(6aR,8R,9aS)-9-[2-(2-aminoethoxy)ethoxymethoxy]-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide
CID 169041988
N-[9-[(2R,3R,4R,5R)-5-ethyl-3-methoxy-4-methyloxolan-2-yl]purin-6-yl]benzamide
CID 170290375

Frequently Asked Questions

What is the IUPAC name of (6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide?
The IUPAC name of (6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide (CID 163762333) is (6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide.
What is the SMILES notation for (6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide?
The canonical SMILES for (6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide is CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1.CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1.CCOC(C)=O.CC[C@@H]1OC(OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@H]1C.CC[C@@H]1OC(OC)[C@H](OC(=O)c2ccccc2)[C@H]1C.CC[C@@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(=O)c2ccccc2)[C@H]1C.Cc1ccc(OC(=S)O[C@@H]2[C@H]3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@@H]3O[C@H]2n2cnc3c(NC(=O)c4ccccc4)ncnc32)cc1.O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)c1ccccc1.O=C(Nc1ncnc2nc[nH]c12)c1ccccc1.S=C(Cl)Oc1ccccc1.
What is the InChIKey of (6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide?
The InChIKey is LZGAZPMHSPHZAO-BICHZYFXSA-N. The full InChI is InChI=1S/C37H49N5O7SSi2.C29H43N5O6Si2.C26H25N5O4.C22H39N5O5Si2.C17H17N5O5.C16H20O5.C15H20O4.C12H9N5O.C7H5ClOS.C4H8O2/c1-22(2)51(23(3)4)44-19-29-31(48-52(49-51,24(5)6)25(7)8)32(47-37(50)45-28-17-15-26(9)16-18-28)36(46-29)42-21-40-30-33(38-20-39-34(30)42)41-35(43)27-13-11-10-12-14-27;1-17(2)41(18(3)4)37-14-22-25(39-42(40-41,19(5)6)20(7)8)24(35)29(38-22)34-16-32-23-26(30-15-31-27(23)34)33-28(36)21-12-10-9-11-13-21;1-3-19-16(2)21(35-26(33)18-12-8-5-9-13-18)25(34-19)31-15-29-20-22(27-14-28-23(20)31)30-24(32)17-10-6-4-7-11-17;1-12(2)33(13(3)4)29-9-16-19(31-34(32-33,14(5)6)15(7)8)18(28)22(30-16)27-11-26-17-20(23)24-10-25-21(17)27;23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9;1-4-13-10(2)14(16(20-13)19-11(3)17)21-15(18)12-8-6-5-7-9-12;1-4-12-10(2)13(15(17-3)18-12)19-14(16)11-8-6-5-7-9-11;18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11;8-7(10)9-6-4-2-1-3-5-6;1-3-6-4(2)5/h10-18,20-25,29,31-32,36H,19H2,1-9H3,(H,38,39,41,43);9-13,15-20,22,24-25,29,35H,14H2,1-8H3,(H,30,31,33,36);4-16,19,21,25H,3H2,1-2H3,(H,27,28,30,32);10-16,18-19,22,28H,9H2,1-8H3,(H2,23,24,25);1-5,7-8,10,12-13,17,23-25H,6H2,(H,18,19,21,26);5-10,13-14,16H,4H2,1-3H3;5-10,12-13,15H,4H2,1-3H3;1-7H,(H2,13,14,15,16,17,18);1-5H;3H2,1-2H3/t29-,31-,32+,36+;22-,24+,25-,29+;16-,19-,21+,25+;16-,18+,19-,22+;10-,12-,13+,17+;10-,13-,14+,16?;10-,12-,13+,15?;;;/m0000000.../s1.
What are the key properties of (6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide?
(6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide has a molecular weight of 3787.19 g/mol, XLogP of 30.78, 43 rotatable bonds, 12 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,8R,9R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;N-[9-[(6aS,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;N-[9-[(6aS,8R,9R,9aS)-9-(4-methylphenoxy)carbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide;[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;ethyl acetate;[(3R,4S,5S)-5-ethyl-2-methoxy-4-methyloxolan-3-yl] benzoate;O-phenyl chloromethanethioate;N-(7H-purin-6-yl)benzamide is sourced from PubChem (CID 163762333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).